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Troxacitabine

CAT: 0926-NT29825-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-NT29825-01Size:10 mg
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CAS Number
145918-75-8
Synonyms
4-Amino-1- ((2S,4S) -2- (hydroxymethyl) -1,3-dioxolan-4-yl) pyrimidin-2 (1H) -one
MDL Number
MFCD00871100
Smiles
C1[C@H] (O[C@H] (O1) CO) N2C=CC (=NC2=O) N
Molecular Formula
C8H11N3O4
Molecular Weight
213.19 g/mol
Controlled
No

Chemical Information

Troxacitabine

Troxacitabine is a nucleobase-containing molecular entity and a carbohydrate derivative.

CAS Number145918-75-8
PubChem CID454194
IUPAC Name4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Molecular FormulaC8H11N3O4
Molecular Weight213.19
XLogP-1.7
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity328
SMILES
C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
InChIKey
RXRGZNYSEHTMHC-BQBZGAKWSA-N
Chemical Structure
2D Structure
2D structure of Troxacitabine
CAS: 145918-75-8
CID: 454194
Formula: C8H11N3O4
MW: 213.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.19
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass213.07495584
Monoisotopic Mass213.07495584
Topological Polar Surface Area97.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-T805580-2.5MGTroxacitabine
HY-156998Troxacitabine triphosphate
A11232-10Troxacitabine (SGX-145) 10mg
MBS386669-01Troxacitabine (SGX-145)
A11232-100Troxacitabine (SGX-145) 100mg
A11232-25Troxacitabine (SGX-145) 25mg
A11232-50Troxacitabine (SGX-145) 50mg
A11232-5Troxacitabine (SGX-145) 5mg
TRC-A188325-50MGN-Acetyl 2-O-Benzyl Troxacitabine
AR-L01080-01Lamivudine EP Impurity I (Troxacitabine)

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